3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one

C14H24N2O2 — CID 82526709

IUPAC3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one
SMILESCCCCCn1cccc(CNCCOC)c1=O
InChIInChI=1S/C14H24N2O2/c1-3-4-5-9-16-10-6-7-13(14(16)17)12-15-8-11-18-2/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3
InChIKeyKXEWYHHTKNHFLZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.77
Rot. Bonds9

About 3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one

3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one (PubChem CID 82526709) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one.

Molecular Properties

Compound Name3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one
PubChem CID82526709
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one
SMILESCCCCCn1cccc(CNCCOC)c1=O
InChIInChI=1S/C14H24N2O2/c1-3-4-5-9-16-10-6-7-13(14(16)17)12-15-8-11-18-2/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3
InChIKeyKXEWYHHTKNHFLZ-UHFFFAOYSA-N
XLogP1.77
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(ethylaminomethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526386
3-[(butan-2-ylamino)methyl]-1-pentylpyridin-2-one
CID 82526711
1-pentyl-3-(sulfanylmethyl)pyridin-2-one
CID 82526701
3-[(cyclopentylamino)methyl]-1-pentylpyridin-2-one
CID 82526710
1-butyl-3-[(2-methoxyethylamino)methyl]-6-propan-2-ylpyridin-2-one
CID 82524343
3-(chloromethyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82526375
3-[(butan-2-ylamino)methyl]-1-(2-methoxyethyl)pyridin-2-one
CID 82526542
2-methoxy-N-[(2-octoxyphenyl)methyl]ethanamine
CID 63485820
1-ethyl-3-(ethylaminomethyl)pyridin-2-one
CID 82527243
3-amino-1-pentylpyridin-2-one
CID 62102446
3-iodo-1-pentylpyridin-2-one
CID 79785003
3-(butylaminomethyl)-1-(3-methoxypropyl)-6-methylpyridin-2-one
CID 82524753

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one?
The IUPAC name of 3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one (CID 82526709) is 3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one.
What is the SMILES notation for 3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one?
The canonical SMILES for 3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one is CCCCCn1cccc(CNCCOC)c1=O.
What is the InChIKey of 3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one?
The InChIKey is KXEWYHHTKNHFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-4-5-9-16-10-6-7-13(14(16)17)12-15-8-11-18-2/h6-7,10,15H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of 3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one?
3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyethylamino)methyl]-1-pentylpyridin-2-one is sourced from PubChem (CID 82526709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).